Propan-2-yl 4-[(1-{2-chloro-5-[(dodecane-1-sulfonyl)amino]anilino}-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy]benzoate

Base Information

• Chemical Name: Propan-2-yl 4-[(1-{2-chloro-5-[(dodecane-1-sulfonyl)amino]anilino}-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy]benzoate
• CAS No.: 116312-72-2
• Molecular Formula: C35H51ClN2O7S
• Molecular Weight: 679.31
• DSSTox Substance ID: DTXSID00558319
• Nikkaji Number: J243.010J
• Mol file: 116312-72-2.mol

Synonyms:116312-72-2;propan-2-yl 4-[1-[2-chloro-5-(dodecylsulfonylamino)anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoate;DOOYLLWEQNZSMF-UHFFFAOYSA-N;DTXSID00558319;Propan-2-yl 4-[(1-{2-chloro-5-[(dodecane-1-sulfonyl)amino]anilino}-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy]benzoate

Chemical Property of Propan-2-yl 4-[(1-{2-chloro-5-[(dodecane-1-sulfonyl)amino]anilino}-4,4-dimethyl-1,3-dioxopentan-2-yl)oxy]benzoate

Chemical Property:

• PSA: 139.74000
• LogP: 10.37240
• XLogP3: 10.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 22
• Exact Mass: 678.3105508
• Heavy Atom Count: 46
• Complexity: 1030

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)OC2=CC=C(C=C2)C(=O)OC(C)C

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